[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate

C16H14Cl2N2O4 — CID 23635767

IUPAC[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-9-14(18)15(19-10-11)23-12-1-3-13(4-2-12)24-16(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2
InChIKeyUPPMSRKAZZTSHB-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.01
Rot. Bonds3

About [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate

[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate (PubChem CID 23635767) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate
PubChem CID23635767
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-9-14(18)15(19-10-11)23-12-1-3-13(4-2-12)24-16(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2
InChIKeyUPPMSRKAZZTSHB-UHFFFAOYSA-N
XLogP4.01
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tcpobop
CID 5382
4-(3,5-Dichloro-pyridin-2-yloxy)-phenol
CID 620880
Methyl-phenyl-carbamic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester
CID 10215997
Methyl-phenyl-carbamic acid 4-(5-chloropyridin-2-yloxy)-phenyl ester
CID 23635399
Morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635512
Chlorazifop
CID 173715
Methyl-phenyl-carbamic acid 4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-phenyl
CID 10287897
4-(3,5-Dichloropyridin-2-yloxy)phenyl butylcarbamate
CID 23635766
Methyl-phenyl-carbamic acid 4-(3,5-dichloropyridin-4-yloxy)-phenyl ester
CID 10150622
Pyrrolidine-1-carboxylic acid 4-(3,5-dichloropyridin-2-yloxy)-phenyl ester
CID 23635768
Foe 3440 A
CID 160310
Isoxapyrifop
CID 174656

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate (CID 23635767) is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate is O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)N1CCOCC1.
What is the InChIKey of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate?
The InChIKey is UPPMSRKAZZTSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c17-11-9-14(18)15(19-10-11)23-12-1-3-13(4-2-12)24-16(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2.
What are the key properties of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate?
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate has a molecular weight of 369.20 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 23635767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).